In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[(4-tert-butylpiperazin-1-y…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.78 | 6.21 | -79.16 | 3 | 4 | 2 | 37 | 281.444 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.78 | 4.08 | -37.97 | 2 | 4 | 1 | 36 | 280.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.